 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Co_re_ligand_colIII_nometal_Energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Co_re_ligand_colIII_nometal_Energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-8582.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      8585.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                27-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Co_re_ligand_colIII_nometal_Energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge = -1 Multiplicity = 1
 C                    -1   -4.12999  -2.72143  -3.37438 
 C                    0    -3.38342  -1.37312  -3.55063 
 C                    0    -2.12944  -1.25816  -2.72732 
 C                    0    -1.72465  -0.34424  -1.76388 
 N                    0    -1.06481  -2.16629  -2.83203 
 C                    0    -0.07683  -1.78373  -1.95288 
 N                    0    -0.4454   -0.68011  -1.2899 
 C                    -1   -5.23388  -0.76196  -0.11475 
 C                    0    -5.85225   0.28766   0.83393 
 C                    0    -5.1544    1.66827   0.74014 
 C                    0    -3.68387   1.55511   1.11766 
 O                    0    -3.31218   1.04171   2.21306 
 O                    0    -2.80224   1.98636   0.19221 
 C                    -1   -2.24898  -3.81603   3.27456 
 C                    0    -0.82431  -3.58456   3.82429 
 C                    0    -0.04691  -2.54502   3.05854 
 C                    0    -0.24548  -1.92911   1.83227 
 N                    0     1.13162  -1.96714   3.56114 
 C                    0     1.59532  -1.03782   2.66233 
 N                    0     0.77938  -0.99757   1.60017 
 C                    -1    4.64585  -4.0464   -1.2868 
 C                    0     5.12175  -2.65234  -1.75012 
 C                    0     4.09527  -1.58101  -1.49634 
 C                    0     3.08746  -1.46435  -0.55041 
 N                    0     3.99802  -0.4139   -2.26807 
 C                    0     2.95982   0.35083  -1.79109 
 N                    0     2.39134  -0.26539  -0.74803 
 H                    0    -5.0466   -2.72951  -3.97576 
 H                    0    -4.40654  -2.88029  -2.32612 
 H                    0    -3.51723  -3.57385  -3.69884 
 H                    0    -4.04823  -0.5504   -3.26593 
 H                    0    -3.14858  -1.22705  -4.61602 
 H                    0    -2.26477   0.50337  -1.37186 
 H                    0    -1.03689  -2.97333  -3.4411 
 H                    0     0.85383  -2.31295  -1.83361 
 H                    0    -4.17856  -0.93967   0.12648 
 H                    0    -5.29573  -0.42903  -1.16043 
 H                    0    -5.76581  -1.71935  -0.03394 
 H                    0    -6.91892   0.41396   0.60181 
 H                    0    -5.78254  -0.06677   1.86985 
 H                    0    -5.23516   2.08286  -0.27068 
 H                    0    -5.63835   2.36574   1.43753 
 H                    0    -2.83606  -2.89074   3.30013 
 H                    0    -2.76783  -4.5686    3.87864 
 H                    0    -2.2224   -4.17892   2.23924 
 H                    0    -0.89541  -3.27384   4.87745 
 H                    0    -0.27394  -4.53791   3.81839 
 H                    0    -1.04976  -2.06086   1.12951 
 H                    0     1.55025  -2.17583   4.45869 
 H                    0     2.45139  -0.39945   2.8047 
 H                    0     4.43583  -4.05806  -0.21031 
 H                    0     3.73592  -4.35074  -1.81774 
 H                    0     5.42053  -4.79697  -1.4799 
 H                    0     5.35692  -2.68759  -2.82387 
 H                    0     6.06114  -2.40137  -1.23585 
 H                    0     2.81575  -2.14692   0.23561 
 H                    0     4.58377  -0.18162  -3.06002 
 H                    0     2.63263   1.28898  -2.20541 
 O                    0    -0.67282   1.25957   1.0611 
 H                    0    -0.98438   0.8663    1.90274 
 H                    0    -1.69892   1.67561   0.55072 
 C                    0     3.08386   2.67923   1.33114 
 O                    0     2.48916   1.59835   1.60787 
 N                    0     2.40658   3.7763    0.86208 
 C                    0     0.94565   3.81247   0.75388 
 C                    0     0.42041   3.26721  -0.57947 
 O                    0     0.81557   2.13539  -1.02792 
 N                    0    -0.50301   4.01157  -1.22072 
 H                    0     0.51089   3.14932   1.51218 
 H                    0     0.59838   4.83634   0.93039 
 H                    0     2.93102   4.60936   0.62408 
 H                    0    -0.7955    4.88379  -0.79256 
 C                    0    -1.28972   3.5325   -2.37237 
 H                    0    -1.38368   4.33073  -3.11573 
 H                    0    -0.77578   2.67738  -2.81493 
 H                    0    -2.2794    3.21441  -2.0253 
 C                    0     4.58274   2.8357    1.52008 
 H                    0     4.81669   2.78471   2.59007 
 H                    0     5.09616   2.00123   1.03157 
 H                    0     4.97291   3.77894   1.12355 
 
 Stoichiometry    C24H43N8O5(1-)
 Framework group  C1[X(C24H43N8O5)]
 Deg. of freedom   234
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.019372   -2.703061   -3.384021
      2          6           0       -3.285028   -1.346875   -3.550891
      3          6           0       -2.034577   -1.224537   -2.723286
      4          6           0       -1.641209   -0.312020   -1.753807
      5          7           0       -0.961144   -2.122045   -2.829687
      6          6           0        0.020640   -1.734924   -1.945601
      7          7           0       -0.360226   -0.638378   -1.277845
      8          6           0       -5.151115   -0.771515   -0.117278
      9          6           0       -5.782084    0.267151    0.835138
     10          6           0       -5.097003    1.654744    0.750756
     11          6           0       -3.626567    1.553393    1.132008
     12          8           0       -3.253241    1.037668    2.225753
     13          8           0       -2.746356    1.997857    0.211465
     14          6           0       -2.147430   -3.815478    3.264524
     15          6           0       -0.726608   -3.573570    3.819675
     16          6           0        0.043188   -2.522687    3.061771
     17          6           0       -0.157610   -1.902121    1.838213
     18          7           0        1.214762   -1.936450    3.570912
     19          6           0        1.672293   -0.998019    2.678424
     20          7           0        0.859095   -0.959758    1.614090
     21          6           0        4.762455   -3.956626   -1.277640
     22          6           0        5.226553   -2.555697   -1.732124
     23          6           0        4.189300   -1.495434   -1.475677
     24          6           0        3.177699   -1.393318   -0.532117
     25          7           0        4.083307   -0.325188   -2.241474
     26          6           0        3.036571    0.427187   -1.763501
     27          7           0        2.470892   -0.199914   -0.725414
     28          1           0       -4.934125   -2.716547   -3.988130
     29          1           0       -4.297461   -2.870124   -2.337438
     30          1           0       -3.397680   -3.547940   -3.711196
     31          1           0       -3.958371   -0.531977   -3.263778
     32          1           0       -3.048481   -1.192907   -4.614791
     33          1           0       -2.190421    0.528369   -1.358878
     34          1           0       -0.923862   -2.925517   -3.442956
     35          1           0        0.955883   -2.255999   -1.826399
     36          1           0       -4.094876   -0.940586    0.126107
     37          1           0       -5.213065   -0.433598   -1.161350
     38          1           0       -5.674235   -1.734278   -0.043135
     39          1           0       -6.849221    0.384660    0.600553
     40          1           0       -5.712053   -0.092141    1.869363
     41          1           0       -5.178730    2.073958   -0.258073
     42          1           0       -5.589518    2.343892    1.450412
     43          1           0       -2.743272   -2.895892    3.293289
     44          1           0       -2.660928   -4.576110    3.863063
     45          1           0       -2.114435   -4.172555    2.227372
     46          1           0       -0.803679   -3.269163    4.874260
     47          1           0       -0.167273   -4.521650    3.810334
     48          1           0       -0.958575   -2.037662    1.132386
     49          1           0        1.632730   -2.145992    4.468569
     50          1           0        2.521903   -0.352395    2.826720
     51          1           0        4.549438   -3.976015   -0.201842
     52          1           0        3.856980   -4.266664   -1.812864
     53          1           0        5.544731   -4.698841   -1.472442
     54          1           0        5.465156   -2.582995   -2.805348
     55          1           0        6.162043   -2.298667   -1.213755
     56          1           0        2.910152   -2.082604    0.249449
     57          1           0        4.669137   -0.083172   -3.030450
     58          1           0        2.701764    1.364430   -2.173785
     59          8           0       -0.612716    1.286484    1.082754
     60          1           0       -0.923003    0.885799    1.921374
     61          1           0       -1.641202    1.695584    0.571571
     62          6           0        3.129631    2.739926    1.371431
     63          8           0        2.544326    1.652034    1.640647
     64          7           0        2.443412    3.833078    0.906217
     65          6           0        0.982524    3.856086    0.793898
     66          6           0        0.466313    3.313053   -0.543881
     67          8           0        0.873406    2.187410   -0.997170
     68          7           0       -0.462214    4.052120   -1.183884
     69          1           0        0.551829    3.184832    1.547378
     70          1           0        0.625121    4.875685    0.974823
     71          1           0        2.960677    4.672287    0.674199
     72          1           0       -0.764137    4.919247   -0.751954
     73          6           0       -1.241034    3.571842   -2.340377
     74          1           0       -1.340344    4.373113   -3.079751
     75          1           0       -0.717787    2.723966   -2.785960
     76          1           0       -2.228681    3.242610   -1.997926
     77          6           0        4.626418    2.909465    1.565615
     78          1           0        4.857728    2.854958    2.636011
     79          1           0        5.149081    2.082487    1.074191
     80          1           0        5.008837    3.858441    1.175268
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.1011459      0.0747161      0.0679229
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are  2482 symmetry adapted cartesian basis functions of A   symmetry.
 There are  2217 symmetry adapted basis functions of A   symmetry.
  2217 basis functions,  3049 primitive gaussians,  2482 cartesian basis functions
   142 alpha electrons      142 beta electrons
       nuclear repulsion energy      4486.8442075069 Hartrees.
 NAtoms=   80 NActive=   80 NUniq=   80 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  2217 RedAO= T EigKep=  1.03D-06  NBF=  2217
 NBsUse=  2214 1.00D-06 EigRej=  3.67D-07 NBFU=  2214
 ExpMin= 3.60D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3PW91) =  -1754.50238286     A.U. after   24 cycles
            NFock= 24  Conv=0.42D-08     -V/T= 2.0057

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94833 -18.92974 -18.92751 -18.92043 -18.82066
 Alpha  occ. eigenvalues --  -14.24365 -14.23371 -14.22671 -14.22478 -14.21394
 Alpha  occ. eigenvalues --  -14.14304 -14.13758 -14.12936 -10.14379 -10.12290
 Alpha  occ. eigenvalues --  -10.11544 -10.08922 -10.08045 -10.07910 -10.07638
 Alpha  occ. eigenvalues --  -10.07609 -10.07538 -10.07503 -10.07241 -10.07152
 Alpha  occ. eigenvalues --  -10.07017 -10.06843 -10.06731 -10.06468 -10.06352
 Alpha  occ. eigenvalues --  -10.05561 -10.04937 -10.04598 -10.03942 -10.03811
 Alpha  occ. eigenvalues --  -10.03111 -10.03021  -0.89402  -0.88317  -0.88132
 Alpha  occ. eigenvalues --   -0.87288  -0.87150  -0.86643  -0.80194  -0.79542
 Alpha  occ. eigenvalues --   -0.78827  -0.73390  -0.72539  -0.71734  -0.70122
 Alpha  occ. eigenvalues --   -0.69045  -0.68683  -0.68192  -0.67271  -0.65331
 Alpha  occ. eigenvalues --   -0.61454  -0.61318  -0.60613  -0.59627  -0.58249
 Alpha  occ. eigenvalues --   -0.56712  -0.54552  -0.53296  -0.52736  -0.48886
 Alpha  occ. eigenvalues --   -0.48854  -0.47830  -0.47786  -0.47158  -0.46329
 Alpha  occ. eigenvalues --   -0.46245  -0.45472  -0.44457  -0.41681  -0.40950
 Alpha  occ. eigenvalues --   -0.40729  -0.40071  -0.39059  -0.37967  -0.37277
 Alpha  occ. eigenvalues --   -0.35910  -0.35786  -0.35475  -0.34917  -0.34831
 Alpha  occ. eigenvalues --   -0.34379  -0.33720  -0.33637  -0.33401  -0.33066
 Alpha  occ. eigenvalues --   -0.32792  -0.32121  -0.31257  -0.30719  -0.30527
 Alpha  occ. eigenvalues --   -0.30358  -0.30271  -0.30006  -0.29038  -0.28803
 Alpha  occ. eigenvalues --   -0.28656  -0.28265  -0.28172  -0.27945  -0.27616
 Alpha  occ. eigenvalues --   -0.27600  -0.27368  -0.27256  -0.26984  -0.26749
 Alpha  occ. eigenvalues --   -0.26503  -0.26386  -0.25949  -0.25685  -0.25582
 Alpha  occ. eigenvalues --   -0.25242  -0.25104  -0.24956  -0.23329  -0.23122
 Alpha  occ. eigenvalues --   -0.22453  -0.22015  -0.21081  -0.20216  -0.16195
 Alpha  occ. eigenvalues --   -0.15593  -0.14722  -0.14177  -0.13539  -0.13019
 Alpha  occ. eigenvalues --   -0.12615  -0.12162  -0.11703  -0.10856  -0.10213
 Alpha  occ. eigenvalues --   -0.09724  -0.09701  -0.09430  -0.09079  -0.09001
 Alpha  occ. eigenvalues --   -0.04039  -0.02645
 Alpha virt. eigenvalues --    0.06285   0.06902   0.07003   0.07565   0.07953
 Alpha virt. eigenvalues --    0.08191   0.08451   0.08741   0.09287   0.09427
 Alpha virt. eigenvalues --    0.09584   0.09885   0.10097   0.10638   0.10824
 Alpha virt. eigenvalues --    0.11043   0.11214   0.11685   0.11802   0.11948
 Alpha virt. eigenvalues --    0.12515   0.12692   0.12906   0.12981   0.13291
 Alpha virt. eigenvalues --    0.13486   0.13523   0.13655   0.13855   0.14278
 Alpha virt. eigenvalues --    0.14344   0.14703   0.14778   0.14914   0.15004
 Alpha virt. eigenvalues --    0.15279   0.15523   0.15870   0.15884   0.16023
 Alpha virt. eigenvalues --    0.16271   0.16465   0.16591   0.16635   0.17137
 Alpha virt. eigenvalues --    0.17325   0.17365   0.17377   0.17732   0.17951
 Alpha virt. eigenvalues --    0.18042   0.18314   0.18385   0.18569   0.18760
 Alpha virt. eigenvalues --    0.18792   0.18861   0.18916   0.19111   0.19449
 Alpha virt. eigenvalues --    0.19594   0.19711   0.19785   0.20000   0.20341
 Alpha virt. eigenvalues --    0.20371   0.20540   0.20675   0.20890   0.20918
 Alpha virt. eigenvalues --    0.21022   0.21202   0.21402   0.21601   0.21805
 Alpha virt. eigenvalues --    0.22011   0.22139   0.22189   0.22452   0.22534
 Alpha virt. eigenvalues --    0.22683   0.22778   0.22964   0.23154   0.23384
 Alpha virt. eigenvalues --    0.23422   0.23512   0.23674   0.23721   0.23903
 Alpha virt. eigenvalues --    0.23978   0.24136   0.24501   0.24544   0.24689
 Alpha virt. eigenvalues --    0.24905   0.25010   0.25368   0.25417   0.25483
 Alpha virt. eigenvalues --    0.25689   0.25814   0.25910   0.26192   0.26309
 Alpha virt. eigenvalues --    0.26353   0.26422   0.26658   0.26716   0.26841
 Alpha virt. eigenvalues --    0.27156   0.27449   0.27535   0.27605   0.27939
 Alpha virt. eigenvalues --    0.28031   0.28270   0.28455   0.28575   0.28770
 Alpha virt. eigenvalues --    0.28889   0.28995   0.29295   0.29388   0.29705
 Alpha virt. eigenvalues --    0.29750   0.29969   0.30065   0.30338   0.30441
 Alpha virt. eigenvalues --    0.30661   0.30815   0.30886   0.31197   0.31330
 Alpha virt. eigenvalues --    0.31440   0.31764   0.31848   0.31919   0.32249
 Alpha virt. eigenvalues --    0.32368   0.32686   0.32787   0.32873   0.33184
 Alpha virt. eigenvalues --    0.33309   0.33390   0.33643   0.33851   0.34046
 Alpha virt. eigenvalues --    0.34158   0.34448   0.34547   0.34633   0.34797
 Alpha virt. eigenvalues --    0.35022   0.35241   0.35250   0.35451   0.35862
 Alpha virt. eigenvalues --    0.36075   0.36206   0.36278   0.36489   0.36685
 Alpha virt. eigenvalues --    0.36799   0.37016   0.37066   0.37322   0.37474
 Alpha virt. eigenvalues --    0.37662   0.37864   0.37884   0.38047   0.38222
 Alpha virt. eigenvalues --    0.38529   0.38615   0.38731   0.38832   0.38950
 Alpha virt. eigenvalues --    0.39003   0.39312   0.39402   0.39439   0.39851
 Alpha virt. eigenvalues --    0.40067   0.40176   0.40229   0.40337   0.40515
 Alpha virt. eigenvalues --    0.40592   0.40990   0.41075   0.41141   0.41398
 Alpha virt. eigenvalues --    0.41605   0.41743   0.42062   0.42088   0.42197
 Alpha virt. eigenvalues --    0.42345   0.42390   0.42530   0.42582   0.42791
 Alpha virt. eigenvalues --    0.43049   0.43197   0.43564   0.43848   0.44049
 Alpha virt. eigenvalues --    0.44127   0.44485   0.44501   0.44542   0.44743
 Alpha virt. eigenvalues --    0.44875   0.45033   0.45386   0.45608   0.45699
 Alpha virt. eigenvalues --    0.45795   0.45891   0.46237   0.46426   0.46597
 Alpha virt. eigenvalues --    0.47008   0.47107   0.47202   0.47488   0.47619
 Alpha virt. eigenvalues --    0.47873   0.48065   0.48152   0.48310   0.48566
 Alpha virt. eigenvalues --    0.48734   0.49074   0.49142   0.49318   0.49600
 Alpha virt. eigenvalues --    0.49730   0.49889   0.50170   0.50326   0.50503
 Alpha virt. eigenvalues --    0.50706   0.50858   0.51079   0.51544   0.51641
 Alpha virt. eigenvalues --    0.51818   0.51842   0.52035   0.52462   0.52481
 Alpha virt. eigenvalues --    0.52731   0.53084   0.53443   0.53599   0.53830
 Alpha virt. eigenvalues --    0.54029   0.54139   0.54489   0.54561   0.54869
 Alpha virt. eigenvalues --    0.55102   0.55329   0.55482   0.55854   0.56026
 Alpha virt. eigenvalues --    0.56145   0.56390   0.56771   0.57074   0.57121
 Alpha virt. eigenvalues --    0.57233   0.57284   0.57477   0.57825   0.57868
 Alpha virt. eigenvalues --    0.58042   0.58383   0.58622   0.58845   0.58870
 Alpha virt. eigenvalues --    0.59294   0.59464   0.59568   0.59889   0.60154
 Alpha virt. eigenvalues --    0.60329   0.60479   0.60737   0.60797   0.60844
 Alpha virt. eigenvalues --    0.61038   0.61273   0.61504   0.61543   0.61708
 Alpha virt. eigenvalues --    0.61863   0.62038   0.62270   0.62451   0.62498
 Alpha virt. eigenvalues --    0.62875   0.63090   0.63271   0.63472   0.63812
 Alpha virt. eigenvalues --    0.63879   0.64202   0.64216   0.64412   0.64635
 Alpha virt. eigenvalues --    0.64857   0.65105   0.65175   0.65412   0.65464
 Alpha virt. eigenvalues --    0.65790   0.65893   0.65937   0.66073   0.66355
 Alpha virt. eigenvalues --    0.66489   0.66750   0.66857   0.66933   0.67179
 Alpha virt. eigenvalues --    0.67183   0.67344   0.67531   0.67755   0.67999
 Alpha virt. eigenvalues --    0.68095   0.68208   0.68318   0.68560   0.68698
 Alpha virt. eigenvalues --    0.68921   0.68980   0.69067   0.69313   0.69348
 Alpha virt. eigenvalues --    0.69606   0.69908   0.69942   0.70123   0.70214
 Alpha virt. eigenvalues --    0.70514   0.70625   0.70763   0.71044   0.71222
 Alpha virt. eigenvalues --    0.71264   0.71468   0.71634   0.71688   0.72061
 Alpha virt. eigenvalues --    0.72376   0.72648   0.72995   0.73108   0.73169
 Alpha virt. eigenvalues --    0.73352   0.73474   0.73575   0.73884   0.73950
 Alpha virt. eigenvalues --    0.74170   0.74273   0.74396   0.74782   0.74895
 Alpha virt. eigenvalues --    0.75034   0.75195   0.75544   0.75582   0.75707
 Alpha virt. eigenvalues --    0.75936   0.76047   0.76373   0.76602   0.76675
 Alpha virt. eigenvalues --    0.76978   0.77079   0.77194   0.77463   0.77676
 Alpha virt. eigenvalues --    0.78006   0.78144   0.78275   0.78480   0.78744
 Alpha virt. eigenvalues --    0.78948   0.79045   0.79238   0.79743   0.79867
 Alpha virt. eigenvalues --    0.79996   0.80056   0.80342   0.80633   0.80733
 Alpha virt. eigenvalues --    0.80985   0.81218   0.81416   0.81800   0.81862
 Alpha virt. eigenvalues --    0.82145   0.82289   0.82422   0.82641   0.82651
 Alpha virt. eigenvalues --    0.83251   0.83421   0.83699   0.83735   0.84084
 Alpha virt. eigenvalues --    0.84350   0.84586   0.84676   0.84863   0.85361
 Alpha virt. eigenvalues --    0.85559   0.85648   0.85893   0.86079   0.86480
 Alpha virt. eigenvalues --    0.86529   0.86769   0.86911   0.87051   0.87216
 Alpha virt. eigenvalues --    0.87414   0.87510   0.87920   0.88088   0.88320
 Alpha virt. eigenvalues --    0.88499   0.88842   0.89154   0.89364   0.89411
 Alpha virt. eigenvalues --    0.89680   0.89867   0.89929   0.90012   0.90517
 Alpha virt. eigenvalues --    0.90644   0.90854   0.91082   0.91326   0.91630
 Alpha virt. eigenvalues --    0.91807   0.91850   0.92136   0.92189   0.92574
 Alpha virt. eigenvalues --    0.92777   0.92889   0.93088   0.93176   0.93540
 Alpha virt. eigenvalues --    0.93641   0.93972   0.94151   0.94457   0.94612
 Alpha virt. eigenvalues --    0.94797   0.95019   0.95127   0.95207   0.95492
 Alpha virt. eigenvalues --    0.95622   0.96056   0.96155   0.96298   0.96426
 Alpha virt. eigenvalues --    0.96654   0.96786   0.96967   0.97125   0.97473
 Alpha virt. eigenvalues --    0.97575   0.97830   0.98219   0.98296   0.98487
 Alpha virt. eigenvalues --    0.98867   0.99070   0.99291   0.99352   0.99802
 Alpha virt. eigenvalues --    0.99942   1.00140   1.00323   1.00436   1.00738
 Alpha virt. eigenvalues --    1.00986   1.01177   1.01274   1.01562   1.01795
 Alpha virt. eigenvalues --    1.01803   1.02035   1.02395   1.02489   1.02974
 Alpha virt. eigenvalues --    1.03100   1.03202   1.03320   1.03685   1.03794
 Alpha virt. eigenvalues --    1.04005   1.04340   1.04766   1.04892   1.04973
 Alpha virt. eigenvalues --    1.05214   1.05381   1.05755   1.06004   1.06228
 Alpha virt. eigenvalues --    1.06562   1.06792   1.06956   1.07116   1.07330
 Alpha virt. eigenvalues --    1.07840   1.08151   1.08223   1.08342   1.08556
 Alpha virt. eigenvalues --    1.08694   1.08713   1.08904   1.09159   1.09407
 Alpha virt. eigenvalues --    1.09724   1.09892   1.10259   1.10472   1.10611
 Alpha virt. eigenvalues --    1.10938   1.11075   1.11110   1.11454   1.11508
 Alpha virt. eigenvalues --    1.11735   1.12149   1.12287   1.12411   1.12680
 Alpha virt. eigenvalues --    1.12950   1.13066   1.13318   1.13441   1.13649
 Alpha virt. eigenvalues --    1.13788   1.14124   1.14518   1.14842   1.14934
 Alpha virt. eigenvalues --    1.15138   1.15421   1.15452   1.15627   1.15837
 Alpha virt. eigenvalues --    1.16233   1.16281   1.16525   1.16614   1.16846
 Alpha virt. eigenvalues --    1.17302   1.17407   1.17466   1.17889   1.18008
 Alpha virt. eigenvalues --    1.18168   1.18397   1.18635   1.19028   1.19243
 Alpha virt. eigenvalues --    1.19655   1.19762   1.20216   1.20295   1.20550
 Alpha virt. eigenvalues --    1.20739   1.21024   1.21191   1.21770   1.22124
 Alpha virt. eigenvalues --    1.22155   1.22422   1.22838   1.23009   1.23283
 Alpha virt. eigenvalues --    1.23535   1.23664   1.24061   1.24274   1.24480
 Alpha virt. eigenvalues --    1.24908   1.25333   1.25610   1.25829   1.26085
 Alpha virt. eigenvalues --    1.26304   1.26605   1.26774   1.27064   1.27218
 Alpha virt. eigenvalues --    1.27691   1.27945   1.28195   1.28323   1.28468
 Alpha virt. eigenvalues --    1.28694   1.28733   1.29420   1.29827   1.30238
 Alpha virt. eigenvalues --    1.30526   1.30722   1.31439   1.31570   1.31991
 Alpha virt. eigenvalues --    1.32081   1.32505   1.32994   1.33151   1.33482
 Alpha virt. eigenvalues --    1.33907   1.34470   1.34811   1.34866   1.35263
 Alpha virt. eigenvalues --    1.35718   1.35790   1.36159   1.36429   1.36905
 Alpha virt. eigenvalues --    1.37265   1.37493   1.38200   1.38413   1.38520
 Alpha virt. eigenvalues --    1.38929   1.39136   1.39483   1.39684   1.40114
 Alpha virt. eigenvalues --    1.40587   1.41171   1.41580   1.41820   1.42004
 Alpha virt. eigenvalues --    1.42507   1.42758   1.42911   1.43128   1.43280
 Alpha virt. eigenvalues --    1.43957   1.44430   1.44581   1.44937   1.45333
 Alpha virt. eigenvalues --    1.45754   1.46325   1.46540   1.46943   1.47338
 Alpha virt. eigenvalues --    1.47959   1.48545   1.48787   1.49538   1.49728
 Alpha virt. eigenvalues --    1.50325   1.50645   1.51109   1.51333   1.51766
 Alpha virt. eigenvalues --    1.51954   1.52390   1.52890   1.52963   1.53663
 Alpha virt. eigenvalues --    1.53824   1.54112   1.54540   1.55196   1.55322
 Alpha virt. eigenvalues --    1.55892   1.55983   1.56360   1.56761   1.57269
 Alpha virt. eigenvalues --    1.57382   1.57770   1.58041   1.58596   1.58839
 Alpha virt. eigenvalues --    1.59335   1.59654   1.60367   1.60424   1.61153
 Alpha virt. eigenvalues --    1.61501   1.61984   1.62097   1.62687   1.62926
 Alpha virt. eigenvalues --    1.63888   1.64086   1.64234   1.64682   1.65347
 Alpha virt. eigenvalues --    1.65803   1.66274   1.66729   1.67004   1.67585
 Alpha virt. eigenvalues --    1.68218   1.68472   1.68980   1.69300   1.69461
 Alpha virt. eigenvalues --    1.70061   1.70674   1.70715   1.71051   1.71436
 Alpha virt. eigenvalues --    1.71699   1.72222   1.72504   1.72907   1.73492
 Alpha virt. eigenvalues --    1.73832   1.74239   1.74705   1.74832   1.75193
 Alpha virt. eigenvalues --    1.75977   1.76158   1.76476   1.76777   1.77198
 Alpha virt. eigenvalues --    1.77886   1.78131   1.78463   1.78585   1.79119
 Alpha virt. eigenvalues --    1.79411   1.79944   1.80454   1.80537   1.81388
 Alpha virt. eigenvalues --    1.81512   1.81994   1.82461   1.82854   1.83345
 Alpha virt. eigenvalues --    1.83597   1.83813   1.84708   1.84849   1.85211
 Alpha virt. eigenvalues --    1.85740   1.85866   1.85989   1.86382   1.87020
 Alpha virt. eigenvalues --    1.87258   1.87532   1.87684   1.88267   1.88437
 Alpha virt. eigenvalues --    1.88875   1.88960   1.89299   1.89516   1.90130
 Alpha virt. eigenvalues --    1.90345   1.90425   1.91242   1.91351   1.91392
 Alpha virt. eigenvalues --    1.91697   1.91873   1.92559   1.92806   1.93267
 Alpha virt. eigenvalues --    1.93488   1.93843   1.94030   1.94262   1.94502
 Alpha virt. eigenvalues --    1.94788   1.95037   1.95150   1.95508   1.96162
 Alpha virt. eigenvalues --    1.96251   1.96441   1.96718   1.96981   1.97255
 Alpha virt. eigenvalues --    1.97451   1.97903   1.98246   1.98608   1.98964
 Alpha virt. eigenvalues --    1.99142   1.99405   2.00076   2.00449   2.00661
 Alpha virt. eigenvalues --    2.00786   2.01182   2.01518   2.01790   2.02085
 Alpha virt. eigenvalues --    2.02482   2.02774   2.03073   2.03218   2.03330
 Alpha virt. eigenvalues --    2.03653   2.03822   2.04240   2.04654   2.05274
 Alpha virt. eigenvalues --    2.05660   2.06137   2.06273   2.06799   2.06990
 Alpha virt. eigenvalues --    2.07229   2.07860   2.08159   2.08347   2.08456
 Alpha virt. eigenvalues --    2.08805   2.09231   2.09729   2.09964   2.10399
 Alpha virt. eigenvalues --    2.10939   2.11441   2.11723   2.12649   2.12695
 Alpha virt. eigenvalues --    2.12998   2.13289   2.13578   2.13771   2.14382
 Alpha virt. eigenvalues --    2.14866   2.15102   2.15235   2.15610   2.15892
 Alpha virt. eigenvalues --    2.16635   2.16655   2.17150   2.17389   2.17788
 Alpha virt. eigenvalues --    2.17903   2.18161   2.19049   2.19388   2.19605
 Alpha virt. eigenvalues --    2.19911   2.20048   2.20754   2.21045   2.21298
 Alpha virt. eigenvalues --    2.21759   2.21905   2.22116   2.22906   2.23236
 Alpha virt. eigenvalues --    2.23775   2.24403   2.24825   2.25056   2.25627
 Alpha virt. eigenvalues --    2.25829   2.26264   2.26649   2.27256   2.27854
 Alpha virt. eigenvalues --    2.27980   2.29041   2.29484   2.29964   2.30365
 Alpha virt. eigenvalues --    2.30515   2.30644   2.31290   2.31924   2.32454
 Alpha virt. eigenvalues --    2.32710   2.32810   2.33453   2.33596   2.34293
 Alpha virt. eigenvalues --    2.34737   2.35138   2.35567   2.35957   2.36157
 Alpha virt. eigenvalues --    2.36697   2.37102   2.38083   2.38350   2.38754
 Alpha virt. eigenvalues --    2.38874   2.39256   2.39816   2.40113   2.40260
 Alpha virt. eigenvalues --    2.40548   2.41047   2.41124   2.42089   2.43041
 Alpha virt. eigenvalues --    2.43205   2.44072   2.44197   2.44425   2.44718
 Alpha virt. eigenvalues --    2.45283   2.45656   2.46242   2.46516   2.47379
 Alpha virt. eigenvalues --    2.47675   2.48532   2.48698   2.49213   2.49838
 Alpha virt. eigenvalues --    2.50384   2.50751   2.51643   2.52186   2.52365
 Alpha virt. eigenvalues --    2.52563   2.53619   2.54052   2.54397   2.54548
 Alpha virt. eigenvalues --    2.54995   2.55252   2.55391   2.55953   2.56542
 Alpha virt. eigenvalues --    2.56714   2.57018   2.57799   2.58148   2.58398
 Alpha virt. eigenvalues --    2.58593   2.59182   2.59373   2.59928   2.60235
 Alpha virt. eigenvalues --    2.60904   2.61203   2.61380   2.62031   2.62246
 Alpha virt. eigenvalues --    2.62577   2.63446   2.63679   2.64195   2.64659
 Alpha virt. eigenvalues --    2.64764   2.65174   2.67343   2.67403   2.67653
 Alpha virt. eigenvalues --    2.68373   2.68461   2.68862   2.69027   2.69746
 Alpha virt. eigenvalues --    2.69854   2.70231   2.70595   2.70872   2.71292
 Alpha virt. eigenvalues --    2.72146   2.72355   2.72777   2.73038   2.73764
 Alpha virt. eigenvalues --    2.73863   2.74194   2.74363   2.74868   2.75348
 Alpha virt. eigenvalues --    2.75614   2.75785   2.76327   2.76442   2.76730
 Alpha virt. eigenvalues --    2.77894   2.77969   2.78118   2.78496   2.79036
 Alpha virt. eigenvalues --    2.79270   2.79639   2.79912   2.80128   2.80998
 Alpha virt. eigenvalues --    2.81248   2.81804   2.82039   2.82562   2.82784
 Alpha virt. eigenvalues --    2.83290   2.83572   2.83918   2.84681   2.84979
 Alpha virt. eigenvalues --    2.85187   2.85554   2.85805   2.86075   2.86418
 Alpha virt. eigenvalues --    2.87068   2.87353   2.87526   2.88213   2.88590
 Alpha virt. eigenvalues --    2.89223   2.89626   2.89748   2.90346   2.90581
 Alpha virt. eigenvalues --    2.91215   2.91446   2.91552   2.92121   2.92692
 Alpha virt. eigenvalues --    2.92841   2.93206   2.93605   2.94125   2.94815
 Alpha virt. eigenvalues --    2.95116   2.95349   2.95648   2.96250   2.96263
 Alpha virt. eigenvalues --    2.96787   2.97136   2.97431   2.97694   2.98186
 Alpha virt. eigenvalues --    2.98315   2.99075   2.99391   3.00076   3.00890
 Alpha virt. eigenvalues --    3.00937   3.01497   3.01778   3.02549   3.02717
 Alpha virt. eigenvalues --    3.03199   3.03497   3.03928   3.04125   3.04415
 Alpha virt. eigenvalues --    3.05019   3.05361   3.05651   3.05666   3.06021
 Alpha virt. eigenvalues --    3.06597   3.07026   3.07310   3.07671   3.08376
 Alpha virt. eigenvalues --    3.08668   3.09170   3.09406   3.09557   3.09703
 Alpha virt. eigenvalues --    3.09894   3.10474   3.10775   3.11266   3.11317
 Alpha virt. eigenvalues --    3.11773   3.12351   3.12512   3.12939   3.13086
 Alpha virt. eigenvalues --    3.13425   3.13794   3.14012   3.14174   3.14513
 Alpha virt. eigenvalues --    3.14749   3.15012   3.15350   3.15573   3.15925
 Alpha virt. eigenvalues --    3.16338   3.16694   3.17222   3.17242   3.17561
 Alpha virt. eigenvalues --    3.17724   3.18126   3.18439   3.18697   3.18966
 Alpha virt. eigenvalues --    3.19350   3.19800   3.19944   3.20064   3.20284
 Alpha virt. eigenvalues --    3.20524   3.21081   3.21202   3.21489   3.21512
 Alpha virt. eigenvalues --    3.22360   3.22454   3.22755   3.23092   3.23645
 Alpha virt. eigenvalues --    3.23803   3.24183   3.24428   3.24493   3.24844
 Alpha virt. eigenvalues --    3.24957   3.25063   3.25484   3.25845   3.26290
 Alpha virt. eigenvalues --    3.26786   3.26896   3.26995   3.27364   3.27593
 Alpha virt. eigenvalues --    3.27851   3.28060   3.28276   3.29062   3.29154
 Alpha virt. eigenvalues --    3.29623   3.29912   3.29967   3.30149   3.30980
 Alpha virt. eigenvalues --    3.31044   3.31532   3.31612   3.31874   3.32367
 Alpha virt. eigenvalues --    3.32418   3.32878   3.33461   3.33593   3.33853
 Alpha virt. eigenvalues --    3.34171   3.34481   3.34814   3.35297   3.35427
 Alpha virt. eigenvalues --    3.35725   3.35991   3.36106   3.36649   3.36794
 Alpha virt. eigenvalues --    3.37589   3.37869   3.38264   3.38292   3.38722
 Alpha virt. eigenvalues --    3.39206   3.39594   3.40191   3.40641   3.41010
 Alpha virt. eigenvalues --    3.41130   3.41325   3.41588   3.41866   3.42171
 Alpha virt. eigenvalues --    3.42889   3.42987   3.43112   3.43511   3.44132
 Alpha virt. eigenvalues --    3.44433   3.44679   3.44767   3.45325   3.45416
 Alpha virt. eigenvalues --    3.46375   3.46398   3.46863   3.46995   3.47255
 Alpha virt. eigenvalues --    3.47774   3.47860   3.48361   3.48805   3.49257
 Alpha virt. eigenvalues --    3.49928   3.50046   3.50356   3.50761   3.51068
 Alpha virt. eigenvalues --    3.51564   3.51882   3.52266   3.52349   3.52883
 Alpha virt. eigenvalues --    3.53148   3.53840   3.54325   3.54862   3.54978
 Alpha virt. eigenvalues --    3.55401   3.55683   3.56466   3.56631   3.57182
 Alpha virt. eigenvalues --    3.57485   3.58053   3.58218   3.58832   3.58974
 Alpha virt. eigenvalues --    3.59118   3.59760   3.59885   3.60387   3.60819
 Alpha virt. eigenvalues --    3.61084   3.61548   3.61968   3.62333   3.62418
 Alpha virt. eigenvalues --    3.62817   3.63125   3.63315   3.63505   3.63772
 Alpha virt. eigenvalues --    3.63968   3.64706   3.64830   3.64994   3.65139
 Alpha virt. eigenvalues --    3.65472   3.65684   3.66098   3.66515   3.67176
 Alpha virt. eigenvalues --    3.67524   3.67619   3.67806   3.68159   3.68438
 Alpha virt. eigenvalues --    3.68938   3.69479   3.70105   3.70675   3.71314
 Alpha virt. eigenvalues --    3.71972   3.72299   3.72677   3.73474   3.73681
 Alpha virt. eigenvalues --    3.74155   3.74929   3.75279   3.75586   3.75642
 Alpha virt. eigenvalues --    3.76043   3.76374   3.76611   3.77109   3.77379
 Alpha virt. eigenvalues --    3.77898   3.78794   3.79215   3.79758   3.80004
 Alpha virt. eigenvalues --    3.80427   3.80620   3.81591   3.81879   3.81956
 Alpha virt. eigenvalues --    3.82930   3.83231   3.84069   3.84861   3.85264
 Alpha virt. eigenvalues --    3.86110   3.86527   3.86669   3.87563   3.87823
 Alpha virt. eigenvalues --    3.88514   3.88867   3.89073   3.89624   3.90282
 Alpha virt. eigenvalues --    3.90635   3.91071   3.91800   3.92052   3.92622
 Alpha virt. eigenvalues --    3.92901   3.93581   3.93698   3.95548   3.95761
 Alpha virt. eigenvalues --    3.96279   3.96850   3.97695   3.98243   3.98487
 Alpha virt. eigenvalues --    3.99303   3.99474   3.99993   4.00616   4.01216
 Alpha virt. eigenvalues --    4.01705   4.02370   4.02724   4.03408   4.04027
 Alpha virt. eigenvalues --    4.04931   4.05869   4.06037   4.06523   4.07024
 Alpha virt. eigenvalues --    4.07555   4.07958   4.08560   4.09410   4.09621
 Alpha virt. eigenvalues --    4.09934   4.10210   4.10321   4.11303   4.11533
 Alpha virt. eigenvalues --    4.12071   4.12387   4.12619   4.13297   4.13466
 Alpha virt. eigenvalues --    4.14223   4.14731   4.14781   4.15259   4.15701
 Alpha virt. eigenvalues --    4.16275   4.17672   4.17891   4.17939   4.19043
 Alpha virt. eigenvalues --    4.19611   4.19759   4.20317   4.21151   4.21890
 Alpha virt. eigenvalues --    4.22626   4.23517   4.23984   4.24534   4.25547
 Alpha virt. eigenvalues --    4.25702   4.26165   4.26933   4.27201   4.27538
 Alpha virt. eigenvalues --    4.27995   4.28272   4.28471   4.29090   4.29569
 Alpha virt. eigenvalues --    4.29774   4.30193   4.30315   4.30526   4.31059
 Alpha virt. eigenvalues --    4.31441   4.31870   4.32013   4.32387   4.32723
 Alpha virt. eigenvalues --    4.33508   4.33596   4.33900   4.34339   4.34628
 Alpha virt. eigenvalues --    4.34832   4.34934   4.35140   4.35601   4.35915
 Alpha virt. eigenvalues --    4.36259   4.36720   4.37009   4.37292   4.37508
 Alpha virt. eigenvalues --    4.37637   4.38238   4.38278   4.39182   4.39250
 Alpha virt. eigenvalues --    4.39559   4.40002   4.40482   4.40505   4.41625
 Alpha virt. eigenvalues --    4.41785   4.42304   4.42582   4.42669   4.44008
 Alpha virt. eigenvalues --    4.44731   4.44991   4.45702   4.47169   4.48137
 Alpha virt. eigenvalues --    4.48359   4.48931   4.49629   4.49764   4.49809
 Alpha virt. eigenvalues --    4.50311   4.50802   4.51297   4.51779   4.52377
 Alpha virt. eigenvalues --    4.52656   4.53531   4.53743   4.54629   4.55902
 Alpha virt. eigenvalues --    4.56486   4.57149   4.57319   4.58252   4.58269
 Alpha virt. eigenvalues --    4.58754   4.59548   4.59819   4.60299   4.61271
 Alpha virt. eigenvalues --    4.61430   4.61980   4.63490   4.64714   4.65301
 Alpha virt. eigenvalues --    4.65807   4.66864   4.67142   4.67372   4.68230
 Alpha virt. eigenvalues --    4.68477   4.69191   4.70083   4.70432   4.70711
 Alpha virt. eigenvalues --    4.71599   4.71800   4.72135   4.72596   4.73056
 Alpha virt. eigenvalues --    4.73390   4.74174   4.75014   4.75125   4.75553
 Alpha virt. eigenvalues --    4.76085   4.76485   4.77411   4.77908   4.78174
 Alpha virt. eigenvalues --    4.78541   4.78639   4.79637   4.79846   4.80505
 Alpha virt. eigenvalues --    4.81053   4.81664   4.82145   4.82328   4.82703
 Alpha virt. eigenvalues --    4.82890   4.83642   4.83825   4.84252   4.84369
 Alpha virt. eigenvalues --    4.85217   4.85354   4.85491   4.86441   4.86858
 Alpha virt. eigenvalues --    4.87307   4.87763   4.89963   4.91305   4.91854
 Alpha virt. eigenvalues --    4.92178   4.92561   4.93427   4.94086   4.94536
 Alpha virt. eigenvalues --    4.95547   4.96049   4.96435   4.97012   4.97742
 Alpha virt. eigenvalues --    4.98254   4.98420   4.98716   4.99096   4.99563
 Alpha virt. eigenvalues --    5.00024   5.00484   5.01490   5.01843   5.01912
 Alpha virt. eigenvalues --    5.02269   5.02779   5.02915   5.04212   5.04763
 Alpha virt. eigenvalues --    5.04841   5.05016   5.05304   5.05653   5.05822
 Alpha virt. eigenvalues --    5.06016   5.06332   5.06553   5.06711   5.07074
 Alpha virt. eigenvalues --    5.07352   5.07558   5.07868   5.08095   5.08604
 Alpha virt. eigenvalues --    5.08901   5.09300   5.09569   5.09756   5.10218
 Alpha virt. eigenvalues --    5.10520   5.11150   5.11529   5.11667   5.12467
 Alpha virt. eigenvalues --    5.12884   5.13492   5.14061   5.14493   5.14971
 Alpha virt. eigenvalues --    5.15179   5.15338   5.15609   5.16493   5.16589
 Alpha virt. eigenvalues --    5.16982   5.17508   5.18065   5.18421   5.18864
 Alpha virt. eigenvalues --    5.18984   5.19693   5.20026   5.21286   5.22106
 Alpha virt. eigenvalues --    5.22714   5.23183   5.23810   5.25117   5.26215
 Alpha virt. eigenvalues --    5.26364   5.26973   5.27287   5.28008   5.28621
 Alpha virt. eigenvalues --    5.29089   5.30370   5.30607   5.31267   5.31920
 Alpha virt. eigenvalues --    5.32648   5.33013   5.33657   5.35854   5.36764
 Alpha virt. eigenvalues --    5.37133   5.37760   5.38452   5.40062   5.41386
 Alpha virt. eigenvalues --    5.43187   5.45917   5.47359   5.47950   5.48504
 Alpha virt. eigenvalues --    5.49098   5.49756   5.50301   5.50918   5.53409
 Alpha virt. eigenvalues --    5.53775   5.54749   5.55087   5.55967   5.56327
 Alpha virt. eigenvalues --    5.56427   5.57112   5.57370   5.58152   5.58451
 Alpha virt. eigenvalues --    5.59353   5.59703   5.59957   5.60408   5.60743
 Alpha virt. eigenvalues --    5.60977   5.62354   5.62596   5.62890   5.64352
 Alpha virt. eigenvalues --    5.64834   5.65977   5.66578   5.67035   5.67679
 Alpha virt. eigenvalues --    5.70386   5.70739   5.72079   5.72871   5.73319
 Alpha virt. eigenvalues --    5.73857   5.74338   5.75067   5.76006   5.76136
 Alpha virt. eigenvalues --    5.76809   5.77255   5.77384   5.78336   5.79239
 Alpha virt. eigenvalues --    5.81173   5.84331   5.84739   5.86331   5.88590
 Alpha virt. eigenvalues --    5.90834   5.92744   5.93261   5.98364   5.99889
 Alpha virt. eigenvalues --    6.00857   6.02493   6.04492   6.06061   6.07322
 Alpha virt. eigenvalues --    6.09558   6.10882   6.14191   6.20806   6.22271
 Alpha virt. eigenvalues --    6.22626   6.23550   6.24461   6.24571   6.25424
 Alpha virt. eigenvalues --    6.33495   6.34348   6.34952   6.36105   6.37501
 Alpha virt. eigenvalues --    6.38355   6.39732   6.41717   6.44702   6.46114
 Alpha virt. eigenvalues --    6.47866   6.50784   6.56397   6.68648   6.69439
 Alpha virt. eigenvalues --    6.70234   6.70992   6.71816   6.79906   6.81974
 Alpha virt. eigenvalues --    6.83770   6.88602   6.89412   6.90384   6.94950
 Alpha virt. eigenvalues --    7.12122   7.14434   7.14567   7.21425   7.29800
 Alpha virt. eigenvalues --    7.37515   7.38469   7.40451   7.42759   7.43537
 Alpha virt. eigenvalues --    7.43773   7.45634   7.46044   7.47211   7.49157
 Alpha virt. eigenvalues --    7.51170   7.51715   7.52578   7.54224   7.54382
 Alpha virt. eigenvalues --    7.55454   7.56001   7.56396   7.56935   7.57372
 Alpha virt. eigenvalues --    7.57633   7.58131   7.59050   7.59410   7.59820
 Alpha virt. eigenvalues --    7.60117   7.60609   7.62838   7.63940   7.64689
 Alpha virt. eigenvalues --    7.66827   7.67123   7.68333   7.69490   7.70421
 Alpha virt. eigenvalues --    7.70784   7.71910   7.72466   7.73234   7.74259
 Alpha virt. eigenvalues --    7.75047   7.75614   7.76398   7.77390   7.77489
 Alpha virt. eigenvalues --    7.78581   7.79135   7.79695   7.79854   7.81970
 Alpha virt. eigenvalues --    7.84474   7.84594   7.84858   7.85571   7.86677
 Alpha virt. eigenvalues --    7.89257   7.89841   7.91588   7.91850   7.92549
 Alpha virt. eigenvalues --    7.94055   7.94697   7.96089   7.96934   7.98252
 Alpha virt. eigenvalues --    7.98745   7.99669   8.00449   8.00662   8.01429
 Alpha virt. eigenvalues --    8.01756   8.02158   8.02398   8.04132   8.04428
 Alpha virt. eigenvalues --    8.05171   8.06002   8.06436   8.07394   8.08523
 Alpha virt. eigenvalues --    8.09131   8.09255   8.09789   8.10166   8.11156
 Alpha virt. eigenvalues --    8.11809   8.13401   8.14267   8.14674   8.16125
 Alpha virt. eigenvalues --    8.16958   8.20079   8.22002   8.23131   8.23549
 Alpha virt. eigenvalues --    8.28103   8.29460   8.30170   8.31006   8.31583
 Alpha virt. eigenvalues --    8.32975   8.38280   8.42413   8.45043   8.48122
 Alpha virt. eigenvalues --    8.49043   8.49169   8.49929   8.50038   8.50487
 Alpha virt. eigenvalues --    8.51503   8.52394   8.53657   8.54111   8.54674
 Alpha virt. eigenvalues --    8.54959   8.55200   8.55389   8.55993   8.56380
 Alpha virt. eigenvalues --    8.56721   8.57608   8.57845   8.58812   8.59190
 Alpha virt. eigenvalues --    8.59233   8.59587   8.60527   8.61048   8.61428
 Alpha virt. eigenvalues --    8.62282   8.62389   8.63140   8.63540   8.63726
 Alpha virt. eigenvalues --    8.63948   8.64629   8.65307   8.66039   8.66442
 Alpha virt. eigenvalues --    8.66488   8.67035   8.68007   8.68644   8.69123
 Alpha virt. eigenvalues --    8.70153   8.70712   8.71352   8.71718   8.72144
 Alpha virt. eigenvalues --    8.73259   8.74490   8.75548   8.75981   8.76864
 Alpha virt. eigenvalues --    8.77915   8.78439   8.78669   8.79361   8.79621
 Alpha virt. eigenvalues --    8.79995   8.80864   8.81348   8.82080   8.82458
 Alpha virt. eigenvalues --    8.82749   8.82931   8.83019   8.83566   8.84052
 Alpha virt. eigenvalues --    8.84081   8.84631   8.84865   8.85056   8.85608
 Alpha virt. eigenvalues --    8.86493   8.86506   8.87285   8.87864   8.88386
 Alpha virt. eigenvalues --    8.88511   8.89166   8.89507   8.91288   8.91620
 Alpha virt. eigenvalues --    8.91741   8.92179   8.92724   8.93501   8.94218
 Alpha virt. eigenvalues --    8.95067   8.95398   8.95842   8.96903   8.97841
 Alpha virt. eigenvalues --    8.99128   8.99967   9.00748   9.01466   9.02962
 Alpha virt. eigenvalues --    9.04424   9.05019   9.07745   9.09116   9.10027
 Alpha virt. eigenvalues --    9.20517   9.21340   9.43715   9.46988   9.48209
 Alpha virt. eigenvalues --    9.49311   9.49739   9.50075   9.52328   9.55114
 Alpha virt. eigenvalues --    9.55674   9.56425   9.67586   9.69037   9.71002
 Alpha virt. eigenvalues --    9.73206   9.74722   9.75450   9.79337   9.79602
 Alpha virt. eigenvalues --    9.81485   9.83022   9.85625   9.86354   9.87298
 Alpha virt. eigenvalues --    9.87782   9.88428   9.88884   9.89104   9.90069
 Alpha virt. eigenvalues --    9.90121   9.90205   9.90567   9.91047   9.91760
 Alpha virt. eigenvalues --    9.92393   9.93050   9.93259   9.93618   9.94228
 Alpha virt. eigenvalues --    9.94533   9.95452   9.98075   9.98754  10.15498
 Alpha virt. eigenvalues --   10.67101  10.67144  10.68804  10.69032  10.72549
 Alpha virt. eigenvalues --   10.73867  10.74551  10.75816  10.76271  10.77072
 Alpha virt. eigenvalues --   10.77420  10.77923  10.82476  10.84384  10.85485
 Alpha virt. eigenvalues --   10.86220  10.89365  10.90364  10.91541  11.05229
 Alpha virt. eigenvalues --   11.06362  11.07624  11.08810  11.09158  11.33350
 Alpha virt. eigenvalues --   11.35115  11.35372  11.42731  11.43923  11.46286
 Alpha virt. eigenvalues --   11.54027  11.55942  11.59803  11.60760  11.61054
 Alpha virt. eigenvalues --   11.69587  11.73978  12.08432  12.09487  12.09640
 Alpha virt. eigenvalues --   14.61860  14.62793  14.66360  14.68644  14.70773
 Alpha virt. eigenvalues --   14.71592  14.74494  14.77304  14.80912  14.85144
 Alpha virt. eigenvalues --   14.85944  14.86917  14.88685  14.97702  14.99427
 Alpha virt. eigenvalues --   14.99827  15.00721  15.03782  15.14346  15.22186
 Alpha virt. eigenvalues --   15.30508  15.35529  15.36937  15.56085  15.85595
 Alpha virt. eigenvalues --   25.11026  25.13479  25.13964  25.16659  25.22331
 Alpha virt. eigenvalues --   25.25237  25.86692  25.88157  25.90329  25.92748
 Alpha virt. eigenvalues --   25.93869  25.94112  25.96766  26.02838  26.04557
 Alpha virt. eigenvalues --   26.06727  26.07647  26.16418  26.30420  26.34703
 Alpha virt. eigenvalues --   26.39007  26.41202  26.42695  26.48476  36.45668
 Alpha virt. eigenvalues --   36.46439  36.46823  36.92524  36.94832  36.94900
 Alpha virt. eigenvalues --   36.96284  36.96771  50.50662  50.57225  50.60268
 Alpha virt. eigenvalues --   50.65963  50.90573
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.359378
     2  C    0.075097
     3  C    0.708742
     4  C   -0.280010
     5  N   -1.143768
     6  C    0.601352
     7  N   -0.097584
     8  C    0.158436
     9  C   -0.117312
    10  C    0.197277
    11  C    0.561047
    12  O   -0.699296
    13  O   -0.821185
    14  C   -0.166764
    15  C    0.098866
    16  C    0.467457
    17  C    0.030445
    18  N   -1.151556
    19  C    0.665451
    20  N   -0.106730
    21  C   -0.226520
    22  C   -0.056340
    23  C    0.673497
    24  C    0.007588
    25  N   -1.170939
    26  C    0.685705
    27  N   -0.146874
    28  H    0.030455
    29  H    0.054786
    30  H   -0.013861
    31  H   -0.060423
    32  H   -0.011575
    33  H   -0.085052
    34  H    0.358101
    35  H    0.125396
    36  H   -0.158465
    37  H   -0.025620
    38  H   -0.070265
    39  H    0.046997
    40  H    0.006817
    41  H   -0.097953
    42  H    0.027060
    43  H    0.008732
    44  H    0.058470
    45  H    0.013138
    46  H   -0.035030
    47  H   -0.004892
    48  H   -0.229600
    49  H    0.359478
    50  H   -0.033780
    51  H    0.039339
    52  H   -0.015368
    53  H    0.037765
    54  H   -0.047302
    55  H    0.010797
    56  H   -0.140079
    57  H    0.335141
    58  H   -0.032688
    59  O   -1.355535
    60  H    0.532677
    61  H    1.071103
    62  C    0.801069
    63  O   -0.408262
    64  N   -0.941733
    65  C    0.129790
    66  C    0.926585
    67  O   -0.439945
    68  N   -0.873230
    69  H    0.121493
    70  H   -0.078574
    71  H    0.293808
    72  H    0.252885
    73  C    0.333342
    74  H   -0.091180
    75  H    0.028212
    76  H    0.082206
    77  C   -0.222616
    78  H    0.018089
    79  H    0.038664
    80  H   -0.056073
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.287999
     2  C    0.003099
     3  C    0.708742
     4  C   -0.365061
     5  N   -0.785666
     6  C    0.726748
     7  N   -0.097584
     8  C   -0.095914
     9  C   -0.063498
    10  C    0.126384
    11  C    0.561047
    12  O   -0.699296
    13  O    0.249919
    14  C   -0.086425
    15  C    0.058944
    16  C    0.467457
    17  C   -0.199155
    18  N   -0.792078
    19  C    0.631672
    20  N   -0.106730
    21  C   -0.164784
    22  C   -0.092845
    23  C    0.673497
    24  C   -0.132491
    25  N   -0.835798
    26  C    0.653017
    27  N   -0.146874
    59  O   -0.822859
    62  C    0.801069
    63  O   -0.408262
    64  N   -0.647925
    65  C    0.172709
    66  C    0.926585
    67  O   -0.439945
    68  N   -0.620345
    73  C    0.352581
    77  C   -0.221935
 Electronic spatial extent (au):  <R**2>=          19819.8953
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              6.1594    Y=             -1.5947    Z=             -5.1668  Tot=              8.1961
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -246.4585   YY=           -213.9942   ZZ=           -227.5099
   XY=              9.3381   XZ=              9.5611   YZ=             -3.5108
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -17.1376   YY=             15.3266   ZZ=              1.8109
   XY=              9.3381   XZ=              9.5611   YZ=             -3.5108
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            157.3100  YYY=            160.6252  ZZZ=              3.2232  XYY=             39.1774
  XXY=             37.0307  XXZ=            -52.8036  XZZ=             84.0962  YZZ=            -28.0915
  YYZ=            -10.6609  XYZ=              8.1846
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -13551.7908 YYYY=          -7570.5926 ZZZZ=          -5927.4165 XXXY=            126.2975
 XXXZ=            -33.5365 YYYX=            128.2834 YYYZ=            110.9919 ZZZX=             84.5089
 ZZZY=            -72.2215 XXYY=          -3550.7202 XXZZ=          -3182.8365 YYZZ=          -2348.5264
 XXYZ=            -82.7731 YYXZ=             53.9197 ZZXY=            -27.6510
 N-N= 4.486844207507D+03 E-N=-1.310507783973D+04  KE= 1.744563365679D+03
 1\1\GINC-LONG-70A4001LUX\SP\RB3PW91\6-311++G(3df,3pd)\C24H43N8O5(1-)\L
 ONG\01-Jul-2020\0\\# b3pw91/6-311++g(3df,3pd) geom=connectivity\\5h8x\
 \-1,1\C,-1,-4.129986,-2.721425,-3.374382\C,0,-3.383422,-1.373121,-3.55
 0631\C,0,-2.12944,-1.258161,-2.727322\C,0,-1.724653,-0.344243,-1.76388
 1\N,0,-1.064809,-2.166289,-2.832034\C,0,-0.076826,-1.783732,-1.952882\
 N,0,-0.445396,-0.680111,-1.289898\C,-1,-5.23388,-0.761958,-0.114747\C,
 0,-5.852245,0.287655,0.833928\C,0,-5.154403,1.668268,0.74014\C,0,-3.68
 3867,1.555106,1.117663\O,0,-3.31218,1.041714,2.213063\O,0,-2.802236,1.
 986359,0.192208\C,-1,-2.248977,-3.816033,3.274559\C,0,-0.824312,-3.584
 564,3.824286\C,0,-0.046911,-2.545022,3.058544\C,0,-0.245476,-1.929111,
 1.832273\N,0,1.131618,-1.967142,3.561144\C,0,1.595315,-1.037822,2.6623
 27\N,0,0.779377,-0.997568,1.600166\C,-1,4.645846,-4.046397,-1.286804\C
 ,0,5.121749,-2.652337,-1.750117\C,0,4.095269,-1.581006,-1.496336\C,0,3
 .087461,-1.464351,-0.550406\N,0,3.998022,-0.413904,-2.26807\C,0,2.9598
 2,0.350825,-1.791093\N,0,2.391336,-0.26539,-0.748032\H,0,-5.046603,-2.
 729512,-3.975755\H,0,-4.406544,-2.880293,-2.326119\H,0,-3.517231,-3.57
 3849,-3.698836\H,0,-4.048225,-0.550403,-3.265928\H,0,-3.148578,-1.2270
 49,-4.616021\H,0,-2.264774,0.503369,-1.37186\H,0,-1.036891,-2.973328,-
 3.441104\H,0,0.853825,-2.312948,-1.833608\H,0,-4.178564,-0.939669,0.12
 6475\H,0,-5.295731,-0.429032,-1.160427\H,0,-5.765806,-1.719345,-0.0339
 4\H,0,-6.918918,0.413957,0.601813\H,0,-5.782544,-0.066773,1.869852\H,0
 ,-5.235162,2.08286,-0.270675\H,0,-5.638352,2.365735,1.437527\H,0,-2.83
 6061,-2.890738,3.300134\H,0,-2.767834,-4.568602,3.878644\H,0,-2.2224,-
 4.178918,2.23924\H,0,-0.895407,-3.273839,4.877447\H,0,-0.273944,-4.537
 905,3.818393\H,0,-1.049759,-2.060858,1.129507\H,0,1.550245,-2.175832,4
 .458692\H,0,2.45139,-0.399446,2.804704\H,0,4.435831,-4.058056,-0.21030
 5\H,0,3.735921,-4.350738,-1.817735\H,0,5.420532,-4.79697,-1.479902\H,0
 ,5.356918,-2.68759,-2.823867\H,0,6.061139,-2.401373,-1.235845\H,0,2.81
 5753,-2.14692,0.235607\H,0,4.583771,-0.181615,-3.060024\H,0,2.632628,1
 .288983,-2.20541\O,0,-0.672816,1.259573,1.061097\H,0,-0.98438,0.866295
 ,1.902744\H,0,-1.698915,1.675614,0.550719\C,0,3.083863,2.67923,1.33114
 4\O,0,2.489155,1.598345,1.60787\N,0,2.40658,3.776304,0.862083\C,0,0.94
 5648,3.812469,0.75388\C,0,0.420411,3.267211,-0.579474\O,0,0.815566,2.1
 35389,-1.027916\N,0,-0.503012,4.011573,-1.220724\H,0,0.510887,3.149317
 ,1.512184\H,0,0.59838,4.836336,0.930386\H,0,2.931024,4.60936,0.624082\
 H,0,-0.795495,4.883789,-0.792564\C,0,-1.28972,3.532503,-2.372369\H,0,-
 1.383675,4.330729,-3.115726\H,0,-0.775783,2.67738,-2.814927\H,0,-2.279
 404,3.214411,-2.0253\C,0,4.582744,2.835699,1.520077\H,0,4.816688,2.784
 712,2.590074\H,0,5.096158,2.001234,1.031569\H,0,4.972913,3.778943,1.12
 3554\\Version=ES64L-G09RevD.01\State=1-A\HF=-1754.5023829\RMSD=4.187e-
 09\Dipole=2.4112832,-0.6610014,-2.0363992\Quadrupole=-12.5668148,11.23
 33477,1.3334671,7.1981778,7.0864387,-2.7508535\PG=C01 [X(C24H43N8O5)]\
 \@


 SCIENCE IS A VERY HUMAN FORM OF KNOWLEDGE.
 WE ARE ALWAYS AT THE BRINK OF THE KNOWN,
 WE ALWAYS FEEL FORWARD FOR WHAT IS HOPED.
 EVERY JUDGEMENT IN SCIENCE STANDS ON THE EDGE OF ERROR, AND IS PERSONAL.
 SCIENCE IS A TRIBUTE TO WHAT WE CAN KNOW ALTHOUGH WE ARE FALLIBLE.

                     -- J. BRONOWSKI
 Job cpu time:       2 days  2 hours  3 minutes 38.1 seconds.
 File lengths (MBytes):  RWF=   2517 Int=      0 D2E=      0 Chk=    170 Scr=      1
 Normal termination of Gaussian 09 at Wed Jul  1 00:13:21 2020.
